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The FAMUSAMM algorithm

  As indicated above we intend to combine two well-established methods for rapid evaluation of long range Coulomb interactions into a new and improved algorithm. To enable an understanding of the computational strategy to be implemented by our combination, we first sketch the basic concepts of its parent methods, SAMM and the multiple-time-step method DC-1d.





Helmut Grubmueller
Wed Apr 30 15:40:09 MET DST 1997